A1BE6
Summary
| Name: | (8R)-2-methyl-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Formula: | C9 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 192.218 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (8R)-2-methyl-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| OpenEye OEToolkits | 3.1.0.0 | 2-methyl-5-propan-2-yl-4~{H}-[1,2,4]triazolo[1,5-a]pyrimidin-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)C1=CC(=O)n2nc(C)nc2N1 |
| InChI | InChI | 1.06 | InChI=1S/C9H12N4O/c1-5(2)7-4-8(14)13-9(11-7)10-6(3)12-13/h4-5H,1-3H3,(H,10,11,12) |
| InChIKey | InChI | 1.06 | ZRLXWRPBRRVUPP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C1=CC(=O)n2nc(C)nc2N1 |
| SMILES | CACTVS | 3.385 | CC(C)C1=CC(=O)n2nc(C)nc2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1nc2n(n1)C(=O)C=C(N2)C(C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1nc2n(n1)C(=O)C=C(N2)C(C)C |
